CHEBI:79928 - Asiaticoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Asiaticoside
ChEBI ID CHEBI:79928
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C48H78O19
Net Charge 0
Average Mass 959.12150
Monoisotopic Mass 958.51373
InChI InChI=1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3/t20-,21+,22+,24-,25-,26-,27-,28-,29+,30+,31-,32-,33+,34-,35-,36-,37-,38-,39+,40-,41+,42+,44+,45+,46-,47-,48+/m1/s1
InChIKey WYQVAPGDARQUBT-FGWHUCSPSA-N
SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Asiaticoside (CHEBI:79928) is a triterpenoid saponin (CHEBI:61778)
Synonym Source
Madecassol KEGG COMPOUND
Manual Xrefs Databases
C15428 KEGG COMPOUND
D07576 KEGG DRUG
View more database links
Registry Number Type Source
16830-15-2 CAS Registry Number KEGG COMPOUND